Selective Diffusion of C8 Aromatics in a 10 and 12 MR Zeolite. A Molecular Dynamics Study (original) (raw)

Selective Diffusion of C8 Aromatics in a 10 and 12 MR Zeolite. A Molecular Dynamics Study. The essential part of the research was made by Dr. German Sastre Navarro my role was to support the research with experimental data

Rolando Roque-Malherbe

Journal of Physical Chemistry B, 1998

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Molecular Dynamics Simulations of the Diffusion of Small Chain Hydrocarbons in 8-Ring Zeolites†

Aldo F. Combariza

The Journal of Physical …, 2010

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Diffusion of propane, propylene and isobutane in 13X zeolite by molecular dynamics

Miguel Angelo Granato, Alirio Rodrigues

Chemical Engineering …, 2010

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Diffusion of Benzene and Propylene in MCM-22 Zeolite. A Molecular Dynamics Study

german sastre

Journal of Physical Chemistry B, 1999

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Molecular Dynamics Studies of Light Hydrocarbons Diffusion in Zeolites

Marco Antonio C Nascimento

1997

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Intracrystalline Diffusion of Linear and Branched Alkanes in the Zeolites TON, EUO, and MFI

Maurizio Mondello

Journal of Physical Chemistry B, 1999

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Propane/propylene diffusion in zeolites: framework dynamics

Aldo F. Combariza

The Journal of Physical …, 2009

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On entropic barriers for diffusion in zeolites: A molecular dynamics study

Siegfried Fritzsche

The Journal of Chemical Physics, 2002

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Efficient and Accurate Methods for Characterizing Effects of Framework Flexibility on Molecular Diffusion in Zeolites: CH4 Diffusion in Eight Member Ring Zeolites

Rohan Awati

The Journal of Physical Chemistry C, 2013

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Molecular Dynamics Simulation of Water Diffusion in MFI-Type Zeolites

Ayşe Arı

Journal of Physical Chemistry B, 2009

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Diffusion of n-alkanes in zeolites: the benefit of observation over different length scales

Jose Caro

Studies in Surface Science and Catalysis, 2007

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NMR Study of the Influence of a Carrier Gas on Zeolitic Diffusion

Milan Kočiřík

Zeitschrift für Physikalische Chemie, 1984

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Diffusion of CH4 and CO2 in MFI, CHA and DDR zeolites

S. Calero

Chemical Physics Letters, 2006

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Diffusion of aromatic hydrocarbons in H-ZSM-5, H-Beta, and H-MCM-22 zeolites

Rolando Roque-Malherbe, Rune Wendelbo

The Journal of Physical Chemistry, 1995

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Structure, energetics and diffusion properties of isomers of trimethyl benzene in β zeolite: Uptake and Monte Carlo simulation study

Yashonath Subramanian

Microporous and Mesoporous Materials, 2009

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Analysis of MD Trajectories as a Jump Diffusion Process: Butene Isomers in Zeolite Types TON and MEL

Fabien Jousse

The Journal of Physical Chemistry B, 1997

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Paper: diffusion of aromatic hydrocarbons in acid ZSM-5, Beta, & MCM-22 zeolites. Was proposed a model for the calculation of the self-diffusion coefficient. Withe the participation of my colleagues Dr. Avelino Corma Canos and Dr. Amparo Mifsud

Rolando Roque-Malherbe, Rune Wendelbo

The Journal of Physical Chemistry, 1995

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Diffusion of alkane mixtures in MFI zeolite

Jasper van Baten

Microporous and Mesoporous Materials, 2008

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Diffusion in zeolites: Extension of the relevant site model to light gases and mixtures thereof in zeolites DDR, CHA, MFI and FAU

Johan Bergh

Separation and Purification Technology, 2010

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Monte Carlo simulations of diffusion in zeolites and comparison with the generalized Maxwell-Stefan theory

S.A. NIJHUIS

Journal of Catalysis, 1992

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Incorporating the Loading Dependence of the Maxwell−Stefan Diffusivity in the Modeling of CH 4 and CO 2 Permeation Across Zeolite Membranes

Jasper van Baten

Industrial & Engineering Chemistry Research, 2007

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Adsorption Sites and Diffusion Rates of Benzene in HY Zeolite by Force Field Based Simulations

Fabien Jousse

The Journal of Physical Chemistry B, 2000

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Modeling the Loading Dependency of Diffusion in Zeolites: The Relevant Site Model

Johan Bergh

The Journal of Physical Chemistry C, 2009

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Molecular Simulations of Adsorption and Diffusion Behaviors of Benzene Molecules in NaY Zeolite

Ruichang Xiong

Chinese Journal of Chemical Engineering, 2009

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Correlation effects in molecular diffusion in zeolites at infinite dilution

Daniel Vercauteren

Chemical Physics, 2000

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A Molecular Dynamic Investigation of the Diffusion of Methane-Ethane and Methane-Propane Mixtures in Zeolites

Jasper van Baten

Chemical Engineering & Technology, 2006

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Capturing the Concentration Dependence of trans -2-Butene Diffusion in Silicalite-2 Zeolite with a Jump Diffusion Model

Daniel Vercauteren

The Journal of Physical Chemistry B, 1998

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Adsorption and Diffusion in Zeolites

soleyman ramezani

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Computer simulation of incommensurate diffusion in zeolites: Understanding window effects

theo maesen

The Journal of Physical Chemistry B, 2003

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Simulation of adsorption and diffusion of hydrocarbons in zeolites

Guy Verbist

Faraday Discussions, 1997

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Molecular Simulations of Zeolites: Adsorption, Diffusion, and Shape Selectivity

Berend Smit

Chemical Reviews, 2008

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Mobility of adsorbed species in zeolites: a molecular dynamics simulation of xenon in silicalite

Stephen Pickett

The Journal of Physical Chemistry, 1990

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Mixture diffusion in zeolites studied by MAS PFG NMR and molecular simulation

Dieter Freude

Microporous and Mesoporous Materials, 2007

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Diffusion of Water in Zeolites Na A and NaCa A: A Molecular Dynamics Simulation Study

Jorge gulin-gonzalez

The Journal of Physical Chemistry C, 2010

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